CID 3050155

Compound 756-267

Structural Information

Molecular Formula
C20H25N3O2
SMILES
COC(=O)C1=CC=CC=C1NCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3O2/c1-25-20(24)18-9-5-6-10-19(18)21-11-12-22-13-15-23(16-14-22)17-7-3-2-4-8-17/h2-10,21H,11-16H2,1H3
InChIKey
YHMQEQWYLZSQFX-UHFFFAOYSA-N
Compound name
methyl 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

339.19467 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 182.7
[M+Na]+ 362.18389 185.6
[M-H]- 338.18739 188.1
[M+NH4]+ 357.22849 192.0
[M+K]+ 378.15783 180.8
[M+H-H2O]+ 322.19193 171.1
[M+HCOO]- 384.19287 199.9
[M+CH3COO]- 398.20852 213.0
[M+Na-2H]- 360.16934 185.0
[M]+ 339.19412 179.2
[M]- 339.19522 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe